bis(2-methylpropyl)-[(2R)-3-[naphthalen-2-ylsulfonyl(phenyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(2R)-3-[naphthalen-2-ylsulfonyl(phenyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-[N-(2-naphthylsulfonyl)anilino]propyl]-diisobutyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[N-(2-naphthalenylsulfonyl)anilino]propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2R)-2-hydroxy-3-(N-naphthalen-2-ylsulfonylanilino)propyl]-bis(2-methylpropyl)azanium Traditional Name: [(2R)-2-hydroxy-3-[N-(2-naphthylsulfonyl)anilino]propyl]-diisobutyl-ammonium Formula: C27H37N2O3S+ MolecularWeight: 469.65928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C)C[NH+](C[C@H](CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O)CC(C)C

InChI

InChI=1S/C27H36N2O3S/c1-21(2)17-28(18-22(3)4)19-26(30)20-29(25-12-6-5-7-13-25)33(31,32)27-15-14-23-10-8-9-11-24(23)16-27/h5-16,21-22,26,30H,17-20H2,1-4H3/p+1/t26-/m1/s1